Chemical Properties of 2-Heptyn-4-ol (CAS ---)

2-Heptyn-4-ol

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InChI
InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h7-8H,3,5H2,1-2H3
InChI Key
AYFRKLSJSAVMRG-UHFFFAOYSA-N
Formula
C7H12O
SMILES
CC#CC(O)CCC
Molecular Weight1
112.17
CAS
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Physical Properties

Property Value Unit Source
Δf 71.60 kJ/mol Joback Calculated Property
Δfgas -73.02 kJ/mol Joback Calculated Property
Δfus 17.57 kJ/mol Joback Calculated Property
Δvap 49.62 kJ/mol Joback Calculated Property
log10WS -1.92 Crippen Calculated Property
logPoct/wat 1.171 Crippen Calculated Property
McVol 106.760 ml/mol McGowan Calculated Property
Pc 3763.78 kPa Joback Calculated Property
Inp 939.00 NIST
Tboil 460.30 K Joback Calculated Property
Tc 645.47 K Joback Calculated Property
Tfus 320.57 K Joback Calculated Property
Vc 0.403 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [217.62; 270.36] J/mol×K [460.30; 645.47] Show Hide
Cp,gas 217.62 J/mol×K 460.30 Joback Calculated Property
Cp,gas 227.38 J/mol×K 491.16 Joback Calculated Property
Cp,gas 236.73 J/mol×K 522.02 Joback Calculated Property
Cp,gas 245.69 J/mol×K 552.89 Joback Calculated Property
Cp,gas 254.28 J/mol×K 583.75 Joback Calculated Property
Cp,gas 262.50 J/mol×K 614.61 Joback Calculated Property
Cp,gas 270.36 J/mol×K 645.47 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.30; 201.44] kPa [349.15; 477.15] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.64196e+01
Coefficient B-4.55664e+03
Coefficient C-6.71610e+01
Temperature range, min.349.15
Temperature range, max.477.15
Pvap 1.30 kPa 349.15 Calculated Property
Pvap 2.82 kPa 363.37 Calculated Property
Pvap 5.70 kPa 377.59 Calculated Property
Pvap 10.85 kPa 391.82 Calculated Property
Pvap 19.56 kPa 406.04 Calculated Property
Pvap 33.61 kPa 420.26 Calculated Property
Pvap 55.40 kPa 434.48 Calculated Property
Pvap 87.97 kPa 448.71 Calculated Property
Pvap 135.11 kPa 462.93 Calculated Property
Pvap 201.44 kPa 477.15 Calculated Property

Similar Compounds

1-Hexyn-3-ol. 1-Heptyn-3-ol. Dodec-5-yne-1,4-diol. 1-Octyn-3-ol. 2-Methyl-5-octyn-4-ol. 4-Hexyn-3-ol. 4-Heptyn-3-ol. 1-Heptyn-4-ol. 5-Methyl-1-hexyn-3-ol. 4-Hydroxy-non-2-ynoic acid, ethyl ester. 5-Octyn-3-ol. 1-Undecyn-4-ol. 4-Methyl-2-heptyn-4-ol. 5-Hexyn-3-ol. 2-Pentanol.

Find more compounds similar to 2-Heptyn-4-ol.

Sources

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